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Basic Description
| Synonyms | 3-isopropylbenzene-1,2-diol | 2138-48-9 | 3-ISOPROPYLCATECHOL | 3-(1-Methylethyl)-1,2-benzenediol | 3-Isopropylpyrocatechol | 1,2-Benzenediol, 3-(1-methylethyl)- | 3-propan-2-ylbenzene-1,2-diol | Pyrocatechol, 3-isopropyl- | NSC-62675 | SOV0198261 | 1,2-dihydroxy-3-isopropyl |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Cumenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Cumenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cumenes |
| Alternative Parents | Phenylpropanes Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Cumene - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety. |
| External Descriptors | catechols |
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Names and Identifiers
| Pubchem Sid | 504752756 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752756 |
| IUPAC Name | 3-propan-2-ylbenzene-1,2-diol |
| INCHI | InChI=1S/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3 |
| InChIKey | XLZHGKDRKSKCAU-UHFFFAOYSA-N |
| Smiles | CC(C)C1=C(C(=CC=C1)O)O |
| Isomeric SMILES | CC(C)C1=C(C(=CC=C1)O)O |
| Molecular Weight | 152.19 |
| Reaxy-Rn | 2043545 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043545&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2320305 |
Certificate of Analysis | Jun 13, 2023 | I192040 |
| F2320348 |
Certificate of Analysis | Jun 13, 2023 | I192040 |
| F2320301 |
Certificate of Analysis | Jun 13, 2023 | I192040 |
| F2320311 |
Certificate of Analysis | Jun 13, 2023 | I192040 |
| F2320313 |
Certificate of Analysis | Jun 13, 2023 | I192040 |
| F2320300 |
Certificate of Analysis | Jun 13, 2023 | I192040 |
Chemical and Physical Properties
| Molecular Weight | 152.190 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 152.084 Da |
| Monoisotopic Mass | 152.084 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 123.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Xin-Yu Liu, Wen-Zhu Wang, Song-Po Yao, Xue-Ying Li, Rui-Min Han, Dangquan Zhang, Zhijun Zhao, Yapei Wang, Jian-Ping Zhang. (2024) Antioxidation Activity Enhancement by Intramolecular Hydrogen Bond and Non-Browning Mechanism of Active Ingredients in Rosemary: Carnosic Acid and Carnosol. JOURNAL OF PHYSICAL CHEMISTRY B, 128 (31): (7627-7638). |
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